REMARK  Name = BDB002469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.615   2.415  -0.350  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -2.611   1.305  -0.198  0.00  0.00    +0.022 A 
ATOM      3  N   LIG    1       -1.863   1.201   0.981  0.00  0.00    -0.315 N 
ATOM      4  C   LIG    1       -2.075   2.147   2.071  0.00  0.00    +0.152 C 
ATOM      5  C   LIG    1       -0.937   0.173   1.195  0.00  0.00    +0.258 A 
ATOM      6  O   LIG    1       -0.361  -0.032   2.261  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.686  -0.740   0.045  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        0.369  -1.808   0.126  0.00  0.00    +0.058 C 
ATOM      9  C   LIG    1       -0.214  -3.040  -0.594  0.00  0.00    +0.184 C 
ATOM     10  C   LIG    1       -0.654  -2.674  -2.001  0.00  0.00    +0.206 C 
ATOM     11  O   LIG    1       -1.354  -1.511  -2.138  0.00  0.00    -0.441 OA
ATOM     12  N   LIG    1       -0.478  -3.380  -3.067  0.00  0.00    -0.270 NA
ATOM     13  H   LIG    1        0.032  -4.254  -2.899  0.00  0.00    +0.190 HD
ATOM     14  C   LIG    1       -1.462  -0.640  -1.040  0.00  0.00    +0.140 A 
ATOM     15  C   LIG    1       -2.433   0.405  -1.180  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        0.716  -4.173  -0.571  0.00  0.00    +0.076 C 
ATOM     17  N   LIG    1        1.447  -5.074  -0.572  0.00  0.00    -0.196 NA
ENDBRANCH   9  16
BRANCH   8  18
ATOM     18  C   LIG    1        1.712  -1.338  -0.500  0.00  0.00    +0.045 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.294  -0.086   0.111  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1        2.869  -0.118   1.388  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        3.395   1.044   1.955  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.353   2.246   1.252  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.785   2.288  -0.020  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.257   1.128  -0.588  0.00  0.00    +0.003 A 
ENDBRANCH  18  19
ENDBRANCH   8  18
TORSDOF 3